SCHEMBL689420

SCHEMBL689420

CC(C)(C)c1ccccc1C(=O)[O-].[Na+]

nearest known ligand 0.52

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 2/20 0.46
CA4 known ✓ P22748 1/20 0.46
PTGS2 known ✓ P35354 2/20 0.39
ALOX5 known ✓ P09917 1/20 0.39
PTGS1 known ✓ P23219 1/20 0.39
GABRA1 known ✓ P14867 1/20 0.36
GABRB2 known ✓ P47870 1/20 0.36
THRB known ✓ P10828 1/20 0.36
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 2/20 0.45
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.38
RBP4 P02753 2/20 0.37
LMNA P02545 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22059 0.96 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDCA2CA4
SCHEMBL10960695 0.96 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDCA2CA4
SCHEMBL4787070 0.96 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDCA2CA4
SCHEMBL5565345 0.96 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDCA2CA4
SCHEMBL10955289 0.96 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDCA2CA4
SCHEMBL8616908 0.96 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDCA2CA4
Zinc Ion SCHEMBL4737091 0.96 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDCA2CA4
SCHEMBL10955286 0.96 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDCA2CA4
SCHEMBL8878430 0.82 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDCA2CA4
SCHEMBL8879015 0.82 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDCA2CA4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116144099-B Thin-wall high-length-diameter-ratio polypropylene ribbon and application thereof 张家港绿洲新材料科技有限公司 2024-04-12 CN claimed
CN-116144099-A Thin-wall high-length-diameter-ratio polypropylene ribbon and application thereof 张家港绿洲新材料科技有限公司 2023-05-23 CN claimed
CN-114573911-A Polypropylene composition suitable for thin-wall high-length-diameter ratio polypropylene ribbon and preparation method and application thereof 张家港绿洲新材料科技有限公司 2022-06-03 CN claimed
EP-0492803-A1 Stabilized halogen containing polymer compositions ELF ATOCHEM NORTH AMERICA, INC. (US) 1992-07-01 EP claimed
CN-118240303-A Polypropylene composition, preparation method of polypropylene ribbon and polypropylene ribbon prepared from polypropylene composition 张家港绿洲新材料科技有限公司 2024-06-25 CN disclosed
CN-116144099-B Thin-wall high-length-diameter-ratio polypropylene ribbon and application thereof 张家港绿洲新材料科技有限公司 2024-04-12 CN disclosed
CN-116144100-B Low-temperature-resistant thin-wall high-length-diameter-ratio polypropylene ribbon 张家港绿洲新材料科技有限公司 2024-04-12 CN disclosed
CN-114702755-B Functional master batch applicable to thin-wall high-length-diameter-ratio polypropylene ribbon as well as preparation method and application thereof 张家港绿洲新材料科技有限公司 2024-01-09 CN disclosed
CN-114716784-B Masterbatch for preparing polypropylene ribbon and preparation method and application thereof 张家港绿洲新材料科技有限公司 2024-01-09 CN disclosed
CN-116948305-A Ultraviolet resistance polypropylene ribbon 张家港绿洲新材料科技有限公司 2023-10-27 CN disclosed
CN-114573911-B Polypropylene composition suitable for thin-wall high-length-diameter-ratio polypropylene ribbon, and preparation method and application thereof 张家港绿洲新材料科技有限公司 2023-08-08 CN disclosed
CN-114573910-B Thin-wall high-length-diameter-ratio polypropylene ribbon resistant to ultraviolet rays and high-low temperature impact 张家港绿洲新材料科技有限公司 2023-08-01 CN disclosed
CN-108586800-B Compound gas-phase antirust agent and preparation method and application thereof 上海电力学院 2020-09-01 CN disclosed
US-8968859-B2 Heat extensible fiber KAO CORPORATION (JP) 2015-03-03 US disclosed
EP-1959037-B1 THERMALLY EXTENSIBLE FIBER DAIWABO POLYTEC CO LTD (JP) 2012-02-29 EP disclosed
US-20090142595-A1 Heat Extensible Fiber DAIWABO CO., LTD. (JP) 2009-06-04 US disclosed
EP-1959037-A1 THERMALLY EXTENSIBLE FIBER Daiwabo Polytec Co., Ltd. (JP) 2008-08-20 EP disclosed
US-5639922-A CONTACTING AROMATIC PRIMARY AND TERTIARY HYDROPEROXIDES MIXTURE OBTAINED BY OXIDATION OF ALKYLAROMATIC COMPOUNDS WITH AN ALKALI OR ALKALINE ORGANIC AROMATIC CARBOXYLIC ACID SALT, DECOMPOSING WITH ACID CATALYST FORMING ALKYL PHENOLS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-17 US disclosed
EP-0492803-A1 Stabilized halogen containing polymer compositions ELF ATOCHEM NORTH AMERICA, INC. (US) 1992-07-01 EP disclosed
US-5100946-A Polyvinyl Chloride, Metal Stabilizer, Disodium Adipate ATOCHEM NORTH AMERICA, INC. (US) 1992-03-31 US disclosed